SCHEMBL21765472

SCHEMBL21765472

CCOC(=O)c1cnc(Cl)cc1NC(C)CF

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.53
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
P2RX3 P56373 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15714840 1.00 IRAK4 (0.53) IRAK4ALDH1A1MAPTALOX15P2RX3
SCHEMBL16884064 0.89 IRAK4 (0.51) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL16873155 0.89 IRAK4 (0.51) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL15688990 0.89 IRAK4 (0.51) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL30606147 0.89 IRAK4 (0.43) IRAK4MAPTKDM4E
SCHEMBL29709761 0.87 IRAK4 (0.53) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL1521991 0.87 IRAK4 (0.53) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL31160381 0.87 IRAK4 (0.45) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL16872967 0.86 IRAK4 (0.46) IRAK4ALDH1A1MAPTALOX15KDM4E
SCHEMBL16878927 0.84 IRAK4 (0.49) IRAK4ALDH1A1MAPTALOX15P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed